[1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol

C16H19Cl2N3O — CID 59087192

IUPAC[1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol
SMILESCn1nc(-c2cccc(Cl)c2Cl)cc1N1CCCCC1CO
InChIInChI=1S/C16H19Cl2N3O/c1-20-15(21-8-3-2-5-11(21)10-22)9-14(19-20)12-6-4-7-13(17)16(12)18/h4,6-7,9,11,22H,2-3,5,8,10H2,1H3
InChIKeyKBWKETZZJFUXLA-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.75
Rot. Bonds3

About [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol

[1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol (PubChem CID 59087192) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol
PubChem CID59087192
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name[1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol
SMILESCn1nc(-c2cccc(Cl)c2Cl)cc1N1CCCCC1CO
InChIInChI=1S/C16H19Cl2N3O/c1-20-15(21-8-3-2-5-11(21)10-22)9-14(19-20)12-6-4-7-13(17)16(12)18/h4,6-7,9,11,22H,2-3,5,8,10H2,1H3
InChIKeyKBWKETZZJFUXLA-UHFFFAOYSA-N
XLogP3.75
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440
(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 59087159
[1-(2,6-diethylphenyl)piperidin-2-yl]methanol
CID 117027992
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
3-[2-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 12018198
[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]methanol
CID 63590971
4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
CID 68535089
[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 114068349
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
2-chloro-N'-hydroxy-6-[2-(hydroxymethyl)azepan-1-yl]benzenecarboximidamide
CID 116634940
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol (CID 59087192) is [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol is Cn1nc(-c2cccc(Cl)c2Cl)cc1N1CCCCC1CO.
What is the InChIKey of [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol?
The InChIKey is KBWKETZZJFUXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-20-15(21-8-3-2-5-11(21)10-22)9-14(19-20)12-6-4-7-13(17)16(12)18/h4,6-7,9,11,22H,2-3,5,8,10H2,1H3.
What are the key properties of [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol?
[1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol has a molecular weight of 340.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 59087192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).